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Yasemin Tümer Çiğdem Yüksektepe Hümeyra Batı Nezihe Çalışkan Orhan Büyükgüngör 《Phosphorus, sulfur, and silicon and the related elements》2013,188(12):2449-2454
Hexakis[2-methoxy-4-(2,3-dimethylphenylimino)phenylato]cyclotriphosphazene was prepared by the reaction of hexakis[2-methoxy-4-formylphenoxy]cyclotriphosphazene and 3,4-dimethylaniline. The structure of new cyclotriphosphazene derivative was determined by elemental analysis, IR, 1H NMR, 13C NMR spectra, thermal analysis, and X-ray diffraction. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file. 相似文献
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Zusammenfassung Der Vergleich der Spektren von B-Dimethylaminoborazinen mit jenen der entsprechenden B-Hexadeuterodimethylaminoborazine zeigt starke Wechselwirkungen zwischen BN- und CH3-Schwingungen, die ebenso wie in anderen N- und O-Methylborazinen zu einer Frequenzminderung der B–N-Hauptbande führen.
Mit 2 Abbildungen 相似文献
By comparison of the IR-spectra of B-dimethylaminoborazines with those of their hexadeuterodimethylamino analogous shows strong interactions of BN and CH3-frequencies. BN frequencies are decreased like in other O- and N-methylborazines.
Mit 2 Abbildungen 相似文献
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2,4,6-Tris(tert.butyl)phenyl Substituted Phosphines Tris(tert.butyl)phenyl-lithium reacts with PCl3 to give 2,4,6-tris(tert.butyl)phenyldihalogenophosphine which is reduced by LiAlH4 yielding 2,4,6-tris(tert.butyl)phenylphosphine. The same reaction by using (CH3)3Si? CH2? PCl2 leads to 2,4,6-tris(tert.butyl)phenyl-trimethylsilylmethylhalogenophosphine. Thermal treatment of this compound results under elimination of HCl and (CH3)3SiCl in the formation of . The nmr data of the compounds synthesized are discussed. 相似文献
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锰(III)5,10,15-三(五氟苯基)-Corrole配合物的DFT计算 总被引:1,自引:1,他引:0
在6-31G*水平上采用DFT(UB3LYP)方法对锰(III)5,10,15-三(五氟苯基)-corrole [(TPFC)MnIII]及其咪唑轴向配位加合物(TPFC)MnIII(Im)进行了几何结构全优化. 计算结果表明, 咪唑的配位作用不会改变其基态的高自旋(s=2)特性. (TPFC)MnIII与咪唑配位形成轴向加合物后, 其中心金属Mn原子偏离平面结构, 与corrole大环N4平均平面的距离达到0.02734 nm. NBO分析显示(TPFC)MnIII和(TPFC)MnIII(Im)中心金属锰的电子组态为(dxz)1(dyz)1(dz2)1(dx2-y2)1(dxy)0. (TPFC)MnIII(Im)前线分子轨道能级明显上升, 从其β-(LUMO+3)轨道可见咪唑配位N原子的py轨道与中心金属Mn原子dyz轨道形成了d-pπ轨道. TD-DFT计算发现, (TPFC)MnIII和(TPFC)MnIII(Im)电子光谱Q带的“四轨”特征比B 带明显; (TPFC)MnIII的CT带主要源自β-(HOMO-1)→β-(LUMO+5)和β-HOMO→β-(LUMO+4)的跃迁, (TPFC)MnIII(Im)的CT带则主要源自β-(HOMO-1)→β-(LUMO+3)和β-HOMO→β-(LUMO+4)的跃迁. 相似文献
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Dr. Jan-Henrik Weddeling Paul Lukas Waltersmann Beate Neumann Dr. Hans-Georg Stammler Prof. Dr. Norbert W. Mitzel 《ChemistryOpen》2021,10(10):1059-1066
Several rigid 1,3,5-tris(phenylethynyl)benzenes with different fluorination patterns were synthesized through selective Sonogashira-Hagihara coupling reactions to analyze the packing behavior in solid-state structures. The aggregation is dominated by various intermolecular interactions between aryl substituents, triple bonds, C−H bonds and H⋅⋅⋅F contacts. Co-crystallization experiments for the analysis of preferred aryl-aryl-interactions led to 1 : 1 complexes. Intermolecular phenyl-perfluorophenyl interactions with short centroid-centroid distances are dominating these co-crystal structures. They lead to melting point increases of up to 49 °C for the co-crystals compared to the pure substances. 相似文献